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CHEBI:220132 - Vacidobactin B
| Formula | C29H49N7O15 |
| Net Charge | 0 |
| Average Mass | 735.745 |
| Monoisotopic Mass | 735.32866 |
| SMILES | CC1CC(=O)NC(CCCN(O)C=O)C(O)C(C)C(=O)NC(C(C)O)C(=O)NC(CCCN)C(=O)NC(CO)C(=O)NC(C(O)C(=O)O)C(=O)O1 |
| InChI | InChI=1S/C29H49N7O15/c1-13-10-19(40)31-16(7-5-9-36(50)12-38)22(41)14(2)24(43)34-20(15(3)39)27(46)32-17(6-4-8-30)25(44)33-18(11-37)26(45)35-21(29(49)51-13)23(42)28(47)48/h12-18,20-23,37,39,41-42,50H,4-11,30H2,1-3H3,(H,31,40)(H,32,46)(H,33,44)(H,34,43)(H,35,45)(H,47,48) |
| InChIKey | ZFHJKIZNPDEJSN-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Variovorax paradoxus S110 (ncbitaxon:543728) | - | PubMed (26412281) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Vacidobactin B (CHEBI:220132) is a cyclodepsipeptide (CHEBI:35213) |
| IUPAC Name |
|---|
| 2-[9-(3-aminopropyl)-17-[3-[ormyl(hydroxy)amino]propyl]-16-hydroxy-12-(1-hydroxyethyl)-6-(hydroxymethyl)-15,21-dimethyl-2,5,8,11,14,19-hexaoxo-1-oxa-4,7,10,13,18-pentazacyclohenicos-3-yl]-2-hydroxyacetic acid |